orbital_charges     :real:2:9,2
  0.664937293606986E+000  0.289382777008089E+000  0.289382777008089E+000
  0.289382777008089E+000  0.199714259595411E+001  0.199714259595411E+001
  0.200000000000000E+001  0.199714259595411E+001  0.200000000000000E+001
  0.133506270639301E+001  0.171347462703780E+001  0.171347462703780E+001
  0.171347462703780E+001  0.000000000000000E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
forces              :real:2:3,2
 -0.461921819404855E-016 -0.763502271523889E-016  0.125495684234454E-015
  0.453248202024971E-016  0.754828654144005E-016 -0.125495684234454E-015
mermin_energy       :real:0:
 -0.928144224483087E+001
end_coords          :real:2:3,2
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
  0.256392919870219E+001  0.256392919870219E+001  0.256392919870219E+001
